IBS-ZINC01280224 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 1 0 0 0 0 0999 V2000 -0.0390 1.5370 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 0.0200 -0.0530 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9420 -0.3830 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.4680 1.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7670 -1.5690 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -0.0210 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.4550 5.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.4060 6.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -1.4410 5.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -1.9360 6.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -2.5430 8.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -2.9170 8.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -2.6930 8.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -2.0900 6.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -1.7230 6.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 -1.1210 5.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 -0.8460 4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -0.9620 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -0.3240 3.6760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4450 0.7670 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -0.7550 2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -0.0720 1.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4020 1.0150 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -0.3980 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -0.6190 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.5250 -1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -0.4590 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -1.2570 -1.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 0.5200 0.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 0.5780 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -3.0150 8.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 -3.6310 10.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 2.0180 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 1.7810 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 1.9840 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 1.0600 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -0.3470 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -0.6430 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 0.5980 5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -1.0900 7.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -2.4200 5.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -2.7250 8.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 -3.3830 9.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -1.9140 6.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -0.4860 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -1.8480 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -0.8860 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 -0.3560 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 0.7830 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 1.3950 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -2.9680 10.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 -4.5960 10.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8950 -3.8180 10.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -0.6900 3.6470 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8670 -1.7060 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 54 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END